NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1471 8.1627 120.2749 54.7745 33.2531 173.9083 2 K 3.9605 8.4640 128.0912 55.9779 32.6124 175.1424 3 G 3.9807 8.7248 116.1402 44.9816 0.0000 171.5487 4 D 4.5638 8.4812 119.6165 54.3496 41.8387 176.9779 5 T 3.8713 8.9246 122.9802 66.9166 68.4949 176.5510 6 K 3.8036 8.1636 120.8566 59.1755 32.2516 178.8290 7 V 3.8909 8.6438 119.0330 66.1793 31.3764 178.0917 8 I 3.7864 7.7889 119.2925 64.4262 36.8486 178.0607 9 N 4.2330 8.3294 117.4637 56.5050 38.3566 177.0325 10 Y 4.0853 8.0597 118.0294 61.1073 38.0303 178.4575 11 L 3.8229 8.4456 120.2341 58.1314 41.6836 179.5427 12 N 4.3953 8.4748 116.5264 55.9398 38.3986 177.5081 13 K 3.8706 8.1752 121.3808 59.4133 32.3492 178.8740 14 L 3.8436 8.1854 119.6326 57.6446 41.3896 179.0744 15 L 4.0870 7.9132 120.7102 58.2527 41.9592 179.2635 16 G 3.6144 8.2022 105.7008 47.8693 0.0000 175.3989 17 N 4.3568 8.0407 118.8416 56.2544 38.5829 177.4583 18 E 4.1496 8.4254 120.2291 59.2315 29.1823 179.3591 19 L 4.2123 8.3569 120.3803 58.4088 40.4776 179.7882 20 V 3.6426 7.8556 120.1749 64.6047 31.3958 178.1397 21 A 3.8037 8.0803 121.5748 54.7892 18.2040 179.3071 22 I 3.7383 8.3340 118.5941 65.0188 37.2518 178.3831 23 N 4.3934 7.8211 115.5732 56.3488 38.3456 177.4241 24 Q 3.8314 8.3176 121.2282 59.3376 29.1172 177.8183 25 Y 4.3657 8.4204 118.2149 61.0034 37.9125 178.3538 26 F 3.8309 8.4548 121.6528 61.0794 39.5043 176.8857 27 L 3.9690 8.2021 120.0063 58.4820 41.8198 178.4862 28 H 3.7992 8.2549 115.8691 58.7734 28.6604 177.1687 29 A 4.1556 8.3176 122.8108 55.8053 18.0997 179.9881 30 R 3.8374 7.8311 115.4173 58.7081 30.0251 179.3054 31 M 3.4157 7.7897 119.2503 58.1609 31.8159 178.3212 32 F 4.5739 7.4609 118.1893 60.7586 39.1215 177.7758 33 K 3.9307 8.1991 118.9451 59.4922 31.8020 178.1844 34 N 4.2637 7.9721 116.2375 56.6288 38.9862 176.3916 35 W 4.7509 7.9853 117.5356 57.6486 29.5726 177.2460 36 G 3.9928 8.4533 108.3328 45.9131 0.0000 174.1340 37 L 4.6386 8.1924 121.7926 52.9872 38.3690 177.2876 38 K 3.8194 7.9430 122.6971 60.0441 32.5130 177.2878 39 R 3.9608 8.1240 118.5357 59.1889 30.0694 178.4353 40 L 4.1063 7.7647 118.4097 57.3913 41.5609 178.7928 41 N 4.5387 8.1721 116.9727 56.7599 38.9442 176.5529 42 D 4.3037 8.1510 120.2755 57.4380 40.9844 179.1445 43 V 3.3443 7.6909 118.4283 66.1050 31.4640 178.0080 44 E 3.7925 8.2525 118.3201 59.1610 29.2610 178.6752 45 Y 3.8815 8.1206 119.8028 61.1603 39.0378 178.1088 46 H 4.1361 8.1645 116.6732 58.5476 28.6898 177.6312 47 E 3.6451 7.7557 120.7624 58.7102 29.1436 178.8641 48 S 4.1557 7.8875 113.4446 61.6227 62.4545 176.3257 49 I 3.5672 7.3884 122.2840 64.2283 36.8039 177.8627 50 D 4.1785 7.6974 118.4718 57.5506 41.0450 178.3617 51 E 4.2799 8.1234 120.1145 58.8468 29.2963 179.2916 52 M 4.0523 7.9613 119.1397 58.3042 32.0038 178.7138 53 K 3.8851 7.9713 118.6041 59.7872 32.1697 179.1155 54 H 4.0600 8.0619 115.9807 58.7278 28.6162 177.5592 55 A 4.2096 8.2312 122.7000 55.3286 18.1443 178.9283 56 D 4.3082 8.3273 116.6543 57.8256 41.2708 178.9103 57 R 3.8629 7.8051 118.2786 59.3567 30.0063 178.6425 58 Y 4.3558 7.8244 116.5146 61.2495 37.9224 178.7501 59 I 3.7798 8.2976 121.0448 64.6537 37.2793 178.4606 60 E 4.0782 8.5217 119.5194 59.1266 29.1393 179.5072 61 R 4.0592 8.0098 118.9063 59.4797 30.2819 178.3062 62 I 3.7673 8.4611 119.9717 64.6539 37.1224 178.4094 63 L 4.0592 8.0919 119.5895 57.7314 41.2446 179.3182 64 F 4.3722 8.1058 119.5873 61.2275 39.6606 176.4644 65 L 4.3124 8.2293 117.8053 53.9029 41.1760 177.1285 66 E 3.9044 8.0136 117.6154 57.4532 27.0955 174.4484 67 G 3.9613 8.3160 108.4778 44.0072 0.0000 173.6404 68 L 4.5352 8.0168 119.0528 52.0192 42.0711 175.1557 69 P 4.4103 0.0000 0.0000 62.4927 31.7990 176.0202 70 N 4.7188 9.3822 122.1075 52.4183 38.7698 173.9628 71 L 4.6177 8.3254 124.2057 54.5676 42.5027 177.5117 72 Q 4.1284 8.4764 121.7566 58.2970 29.3482 175.9584 73 D 4.6502 8.0441 116.7545 53.0651 41.8527 175.3442 74 L 4.5816 8.2777 125.1231 52.7452 44.1822 176.3473 75 G 3.7999 8.5071 115.1806 44.6073 0.0000 172.1499 76 K 4.0249 8.3120 120.6706 56.0486 32.3093 176.4139 77 L 4.1341 8.3306 126.7461 54.4259 42.3249 176.1867 78 N 4.8262 8.8659 120.4975 52.0730 40.5011 174.2192 79 I 3.8975 8.5841 126.7614 64.0243 37.7973 178.1122 80 G 4.1747 8.2748 102.1681 45.9682 0.0000 172.6085 81 E 4.7468 8.7120 116.5826 55.7455 31.7701 176.1753 82 D 5.0437 7.7175 117.6948 50.3171 44.0686 176.1447 83 V 4.0304 8.4977 118.6571 66.6019 31.3555 177.3261 84 E 3.8322 8.2209 117.9576 59.4970 29.4985 178.1249 85 E 4.0028 8.6122 119.3399 59.6605 29.6494 178.7460 86 M 4.2523 8.4740 117.2627 58.2175 31.3944 178.6134 87 L 4.1582 8.6477 120.4975 57.6835 41.7590 179.4171 88 R 3.9109 8.6101 119.0642 59.3852 30.0401 178.5762 89 S 4.1125 8.1337 113.1756 61.3211 62.4051 175.7971 90 D 4.2585 8.1897 121.6780 57.1511 40.5411 178.4304 91 L 4.0136 8.2416 120.6394 58.2979 42.1188 178.8457 92 A 4.0078 8.2484 120.7829 55.1178 18.2381 179.4069 93 L 3.9070 7.9050 118.6103 58.3223 42.1454 179.0634 94 E 4.0621 8.3945 118.5833 59.4145 29.5480 179.2813 95 L 4.0448 8.1624 119.0662 58.0838 41.7517 179.4313 96 D 4.5288 8.4451 118.9580 57.1979 40.6299 179.0929 97 G 3.6418 8.3062 106.2934 47.5332 0.0000 175.7025 98 A 4.0231 8.5174 123.5878 54.6994 18.3539 179.5568 99 K 3.8496 7.9550 117.6817 59.9285 32.2649 178.6397 100 N 4.3732 8.0886 116.5264 56.4529 38.3675 177.4236 101 L 3.9759 8.2447 120.4237 57.7638 41.6074 179.7172 102 R 3.8802 8.2512 118.2827 59.1526 30.0255 178.6585 103 E 3.8372 8.1593 118.7355 59.3156 29.5972 178.6845 104 A 2.7724 7.8467 120.9048 54.7874 18.4600 179.6098 105 I 3.7045 7.9580 118.6321 64.5299 37.0225 178.9512 106 G 3.5989 7.8340 106.3444 47.8611 0.0000 175.2207 107 Y 4.0455 8.0654 122.6020 59.7214 38.8379 177.4261 108 A 3.8302 8.2468 122.1008 55.2976 18.5497 179.0898 109 D 4.0933 7.8960 116.2464 57.3659 41.3582 178.5088 110 S 4.1247 7.5070 114.3417 60.2674 62.9568 175.7254 111 V 4.0457 6.7799 114.1029 60.7106 31.4543 175.8360 112 H 2.8102 6.9625 113.8470 56.6880 27.0415 176.4488 113 D 4.5376 7.3932 121.1003 53.4419 37.6313 176.2678 114 Y 4.3445 7.4018 121.3563 60.6237 38.3914 178.3875 115 V 3.7354 7.8411 119.9584 64.8057 31.8193 178.2799 116 S 4.1613 8.3856 115.9939 61.4064 62.6017 176.7167 117 R 3.8864 8.1215 121.1144 59.4921 29.9625 178.0621 118 D 4.3083 8.2924 117.7754 57.5835 41.3852 177.7997 119 M 4.0181 8.2983 118.8715 59.0459 32.1485 178.1411 120 M 4.1771 8.2719 118.8979 58.3801 32.1098 178.8490 121 I 3.7252 8.1439 120.4153 64.3450 37.3343 178.2837 122 E 3.9822 8.0768 119.0158 59.3806 29.2839 179.4805 123 I 3.4949 7.5900 119.4691 64.2618 37.1735 178.1688 124 L 3.9723 8.1326 121.3451 58.1866 41.9881 178.9496 125 R 3.9596 8.1042 118.6197 59.6062 29.9795 178.3042 126 D 4.3681 7.9923 118.5276 57.1209 40.7586 178.6888 127 E 3.9162 8.1754 119.2960 59.3546 29.4790 178.6381 128 E 4.1227 8.7302 119.9508 59.3489 29.5561 179.1716 129 G 3.6521 7.9398 105.1820 48.2239 0.0000 175.3595 130 H 4.4376 8.0867 119.0382 58.5956 28.6780 177.7773 131 I 3.8116 8.3988 122.0334 64.5543 37.0058 177.7140 132 D 4.3743 8.4223 118.8124 57.2081 41.0047 178.2230 133 W 4.1144 8.3526 128.5904 60.5053 30.7764 177.7963 134 L 3.7808 8.5742 119.2502 57.8866 41.0908 179.3626 135 E 3.9217 8.3779 118.4687 59.7272 29.3182 179.6407 136 T 3.7688 7.8065 115.5494 66.5470 68.5355 176.4453 137 E 3.7269 7.6477 120.4104 59.4871 29.0516 179.4727 138 L 3.7842 7.7182 118.7399 57.9358 41.6110 179.4586 139 D 4.3741 8.1783 118.8229 57.1143 40.6325 178.7479 140 L 3.9831 8.0075 119.9393 57.7040 41.7077 179.4796 141 I 3.3759 7.3840 119.7259 64.4840 36.7471 178.5451 142 Q 3.9749 7.3513 116.3349 58.7872 28.5897 178.5724 143 K 4.1455 7.9979 119.0673 58.7813 32.2926 178.3975 144 M 4.4081 8.3443 114.7203 53.9319 32.4886 177.2800 145 G 4.1032 7.4939 104.9872 45.9749 0.0000 174.4687 146 L 3.9380 8.4003 121.2005 58.0345 42.1826 179.1720 147 Q 4.0052 8.1096 117.4765 59.4136 28.8592 178.7922 148 N 4.3759 8.1714 116.6399 56.3713 38.3448 176.7633 149 Y 4.0121 7.7900 120.2801 60.5852 39.1941 177.7082 150 L 4.0595 8.3154 120.2065 57.9289 41.6475 179.1879 151 Q 3.9916 8.1339 119.1902 59.1187 28.7214 177.7740 152 A 4.1758 7.5353 118.8049 53.3708 18.7905 178.1887 153 Q 4.2925 8.0083 116.4007 55.7289 29.2353 177.6042 154 I 4.0278 7.3058 120.9748 62.7222 37.4648 176.5256 155 R 4.6668 7.5516 118.0496 53.7656 32.2143 175.6366 156 E 4.1154 8.4729 119.8770 55.9225 30.4954 175.8763 157 E 4.0432 8.5478 122.3876 55.4943 30.3982 176.6108 *158 G 3.7326 8.6133 114.1884 45.8894 0.0000 172.1573 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.16 4.15 0.00 1.48 1.74 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 2 K 8.46 3.96 0.00 1.84 1.68 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.47 7.81 3 G 8.72 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.48 4.56 0.00 2.77 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.92 3.87 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 6 K 8.16 3.80 0.00 1.70 1.97 0.00 1.45 0.00 0.00 1.11 0.00 0.00 2.40 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.57 0.96 7.81 7 V 8.64 3.89 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.21 0.00 0.00 8 I 7.79 3.79 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.67 0.91 0.00 0.00 9 N 8.33 4.23 0.00 2.63 2.63 0.00 0.00 7.05 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.06 4.09 0.00 3.19 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.45 3.82 0.00 2.00 1.76 1.05 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.47 4.40 0.00 2.87 2.82 0.00 0.00 6.70 8.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.18 3.87 0.00 1.74 1.97 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.46 7.81 14 L 8.19 3.84 0.00 0.93 1.25 0.89 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.91 4.09 0.00 1.71 1.85 1.08 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.20 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.04 4.36 0.00 2.99 2.92 0.00 0.00 7.05 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.43 4.15 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.84 0.00 19 L 8.36 4.21 0.00 1.88 1.96 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.86 3.64 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.90 0.00 0.00 21 A 8.08 3.80 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.33 3.74 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.77 0.90 0.00 0.00 23 N 7.82 4.39 0.00 2.93 2.86 0.00 0.00 6.76 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.32 3.83 0.00 1.98 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.23 2.12 0.00 25 Y 8.42 4.37 0.00 3.17 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.45 3.83 0.00 3.42 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.20 3.97 0.00 1.95 1.58 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.25 3.80 0.00 3.56 3.30 0.00 5.72 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.32 4.16 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.83 3.84 0.00 1.73 1.88 0.00 3.26 0.00 0.00 3.07 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.66 0.00 31 M 7.79 3.42 0.00 0.87 1.60 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.12 0.00 32 F 7.46 4.57 0.00 3.29 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.20 3.93 0.00 1.97 1.91 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.42 7.81 34 N 7.97 4.26 0.00 2.68 2.67 0.00 0.00 7.33 8.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 7.99 4.75 0.00 3.74 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.45 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.19 4.64 0.00 2.23 1.70 1.08 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.94 3.82 0.00 1.99 1.84 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.58 7.81 39 R 8.12 3.96 0.00 2.04 2.01 0.00 3.46 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 40 L 7.76 4.11 0.00 1.71 1.09 1.08 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.17 4.54 0.00 3.13 3.02 0.00 0.00 7.12 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.15 4.30 0.00 2.88 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.69 3.34 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 0.77 0.00 0.00 44 E 8.25 3.79 0.00 2.30 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 3.01 0.00 45 Y 8.12 3.88 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.16 4.14 0.00 3.24 3.22 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.76 3.65 0.00 1.25 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.80 0.00 48 S 7.89 4.16 0.00 3.97 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.39 3.57 1.83 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.53 0.84 0.00 0.00 50 D 7.70 4.18 0.00 2.92 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.12 4.28 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.67 0.00 52 M 7.96 4.05 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.55 0.00 53 K 7.97 3.89 0.00 1.88 1.81 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.63 7.81 54 H 8.06 4.06 0.00 3.53 3.26 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.23 4.21 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.33 4.31 0.00 2.89 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.81 3.86 0.00 1.81 1.79 0.00 3.13 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 58 Y 7.82 4.36 0.00 3.23 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.30 3.78 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.87 0.95 0.00 0.00 60 E 8.52 4.08 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 61 R 8.01 4.06 0.00 2.14 2.23 0.00 3.36 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 62 I 8.46 3.77 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.63 0.95 0.00 0.00 63 L 8.09 4.06 0.00 2.11 1.79 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.11 4.37 0.00 2.96 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.23 4.31 0.00 1.84 1.63 1.03 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.01 3.90 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 67 G 8.32 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.02 4.54 0.00 1.60 1.62 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.41 0.00 2.06 2.02 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 70 N 9.38 4.72 0.00 2.59 2.72 0.00 0.00 7.08 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.33 4.62 0.00 1.63 1.65 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.48 4.13 0.00 1.99 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 73 D 8.04 4.65 0.00 2.69 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.28 4.58 0.00 1.52 1.50 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.51 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.31 4.02 0.00 1.72 1.74 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.33 4.13 0.00 1.64 1.56 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.87 4.83 0.00 2.62 2.68 0.00 0.00 7.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.58 3.90 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.93 0.92 0.00 0.00 80 G 8.27 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.71 4.75 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 82 D 7.72 5.04 0.00 2.82 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.50 4.03 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.23 0.00 0.00 84 E 8.22 3.83 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 85 E 8.61 4.00 0.00 2.39 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 86 M 8.47 4.25 0.00 2.28 1.78 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 3.06 0.00 87 L 8.65 4.16 0.00 2.03 1.78 1.26 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.61 3.91 0.00 2.10 1.95 0.00 3.09 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 89 S 8.13 4.11 0.00 4.06 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.19 4.26 0.00 3.14 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.24 4.01 0.00 1.83 1.90 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.25 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.91 3.91 0.00 1.91 1.81 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.39 4.06 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.73 0.00 95 L 8.16 4.04 0.00 2.05 1.75 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.45 4.53 0.00 2.71 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.31 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.52 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.95 3.85 0.00 2.07 2.00 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 100 N 8.09 4.37 0.00 3.01 2.91 0.00 0.00 7.13 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.24 3.98 0.00 1.97 1.73 0.98 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.25 3.88 0.00 1.98 1.98 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 103 E 8.16 3.84 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 104 A 7.85 2.77 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 7.96 3.70 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.91 0.00 0.00 106 G 7.83 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.07 4.05 0.00 3.13 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.25 3.83 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 D 7.90 4.09 0.00 2.88 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.51 4.12 0.00 3.94 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 6.78 4.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.66 0.00 0.00 112 H 6.96 2.81 0.00 3.18 3.30 0.00 5.84 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.39 4.54 0.00 2.63 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 7.40 4.34 0.00 3.11 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.84 3.74 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.97 0.00 0.00 116 S 8.39 4.16 0.00 4.19 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.12 3.89 0.00 1.91 2.21 0.00 3.32 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 118 D 8.29 4.31 0.00 3.02 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 M 8.30 4.02 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 120 M 8.27 4.18 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.82 0.00 121 I 8.14 3.73 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.04 0.92 0.00 0.00 122 E 8.08 3.98 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 123 I 7.59 3.49 1.94 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.80 0.78 0.00 0.00 124 L 8.13 3.97 0.00 1.84 1.85 0.99 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.10 3.96 0.00 2.01 2.11 0.00 3.15 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 126 D 7.99 4.37 0.00 2.94 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.18 3.92 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 128 E 8.73 4.12 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 129 G 7.94 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 H 8.09 4.44 0.00 3.52 3.54 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.40 3.81 2.12 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.86 0.97 0.00 0.00 132 D 8.42 4.37 0.00 2.96 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 W 8.35 4.11 0.00 3.54 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.57 3.78 0.00 1.97 1.76 1.39 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.38 3.92 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 136 T 7.81 3.77 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 137 E 7.65 3.73 0.00 1.55 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 138 L 7.72 3.78 0.00 1.72 1.61 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.18 4.37 0.00 2.76 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.01 3.98 0.00 1.85 1.83 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.38 3.38 1.69 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.16 0.04 0.70 0.00 0.00 142 Q 7.35 3.97 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.98 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 143 K 8.00 4.15 0.00 1.72 1.85 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.64 7.81 144 M 8.34 4.41 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.85 0.00 145 G 7.49 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.40 3.94 0.00 1.74 1.66 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.11 4.01 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 148 N 8.17 4.38 0.00 2.98 2.89 0.00 0.00 6.66 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 7.79 4.01 0.00 3.03 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.32 4.06 0.00 2.04 1.70 1.06 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.13 3.99 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.54 4.18 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 8.01 4.29 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.76 0.00 0.00 0.00 0.00 0.00 2.00 2.19 0.00 154 I 7.31 4.03 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.87 0.91 0.00 0.00 155 R 7.55 4.67 0.00 1.75 1.80 0.00 3.19 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 156 E 8.47 4.12 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 157 E 8.55 4.04 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 *158 G 8.61 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.